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(3S,5S)-3-(Dichlorotrifluorophenyl)-5-(pentafluorophenyl)cyclohexene
SpectraBase Compound ID Hvagoo6FdBZ
InChI InChI=1S/C18H8Cl2F8/c19-9-7(11(21)15(25)14(24)10(9)20)5-2-1-3-6(4-5)8-12(22)16(26)18(28)17(27)13(8)23/h1-2,5-6H,3-4H2/t5-,6+/m1/s1
InChIKey QETUNYGTXUQMQK-RITPCOANSA-N
Mol Weight 447.16 g/mol
Molecular Formula C18H8Cl2F8
Exact Mass 445.987531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwLDtSiicyT
Name (3S,5S)-3-(Dichlorotrifluorophenyl)-5-(pentafluorophenyl)cyclohexene
Alternate Name(s) 1,2-Dichloro-3,4,5-trifluoro-6-[(1S,5S)-5-(2,3,4,5,6-pentafluorophenyl)-2-cyclohexen-1-yl]benzene cis-3-(Dichlorotrifluorophenyl)-5-(pentafluorophenyl)cyclohexene trans-3-(Dichlorotrifluorophenyl)-5-(pentafluorophenyl)cyclohexene
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Formula C18H8Cl2F8
InChI InChI=1S/C18H8Cl2F8/c19-9-7(11(21)15(25)14(24)10(9)20)5-2-1-3-6(4-5)8-12(22)16(26)18(28)17(27)13(8)23/h1-2,5-6H,3-4H2/t5-,6+/m1/s1
InChIKey QETUNYGTXUQMQK-RITPCOANSA-N
Molecular Weight 447.155 g/mol
SMILES c1(c(c(F)c(c(c1Cl)Cl)F)F)[C@]1(C[C@@](c2c(c(F)c(c(c2F)F)F)F)(CC=C1)[H])[H]
SPLASH splash10-0f89-6940100000-7d5696adfb4fc7cb0447
Source of Spectrum QE-7-2487-14
Wiley ID 845618